PCIDB

KNApSAcK Metabolite C00048085

Metabolite

KNApSAcK Entry

id C00048085
Name Rubuside B / (+)-Rubuside B
CAS RN 1189131-73-4
Standard InChI InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 50

Link

ChEMBL

By standard InChI CHEMBL1077631
By standard InChI Main Layer CHEMBL1077613 CHEMBL1077631

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rubus ellipticus var.obcordatus 23216 Rosaceae rosids Viridiplantae